USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 CYS SG : rot -141:sc= 0.0436 USER MOD Set 1.2: A 89 SER OG : rot -150:sc= -0.057 USER MOD Set 2.1: A 83 SER OG : rot 43:sc= 0.664 USER MOD Set 2.2: A 88 THR OG1 : rot -44:sc= -0.288! USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00314) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 24:sc= 0.244 USER MOD Single : A 26 CYS SG : rot 113:sc= -0.716 USER MOD Single : A 27 SER OG : rot 35:sc= 0.37 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 3:sc= 0.773 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 59 THR OG1 : rot -70:sc= 0.594 USER MOD Single : A 61 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.1) USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= 1.25 (180deg=0.432) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 90 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.117) USER MOD Single : A 92 SER OG : rot 18:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 10 0.491 17.751 -6.128 1.00 0.00 N ATOM 101 CA GLY A 10 -0.128 16.552 -6.661 1.00 0.00 C ATOM 102 C GLY A 10 0.771 15.336 -6.550 1.00 0.00 C ATOM 103 O GLY A 10 1.989 15.466 -6.429 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.060 16.361 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.386 16.715 -7.707 1.00 0.00 H new ATOM 107 N ILE A 11 0.169 14.152 -6.589 1.00 0.00 N ATOM 108 CA ILE A 11 0.923 12.909 -6.491 1.00 0.00 C ATOM 109 C ILE A 11 1.904 12.768 -7.650 1.00 0.00 C ATOM 110 O ILE A 11 1.511 12.791 -8.817 1.00 0.00 O ATOM 111 CB ILE A 11 -0.010 11.684 -6.471 1.00 0.00 C ATOM 112 CG1 ILE A 11 -0.992 11.783 -5.301 1.00 0.00 C ATOM 113 CG2 ILE A 11 0.802 10.400 -6.380 1.00 0.00 C ATOM 114 CD1 ILE A 11 -0.397 11.364 -3.975 1.00 0.00 C ATOM 0 H ILE A 11 -0.839 14.028 -6.688 1.00 0.00 H new ATOM 0 HA ILE A 11 1.476 12.949 -5.553 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.580 11.665 -7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.348 12.810 -5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.861 11.160 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.128 9.543 -6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.465 10.327 -7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.395 10.409 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.149 11.460 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.067 10.327 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.454 12.003 -3.740 1.00 0.00 H new ATOM 126 N THR A 12 3.184 12.619 -7.321 1.00 0.00 N ATOM 127 CA THR A 12 4.221 12.473 -8.334 1.00 0.00 C ATOM 128 C THR A 12 4.414 11.010 -8.717 1.00 0.00 C ATOM 129 O THR A 12 4.689 10.692 -9.874 1.00 0.00 O ATOM 130 CB THR A 12 5.566 13.047 -7.848 1.00 0.00 C ATOM 131 OG1 THR A 12 6.317 12.030 -7.175 1.00 0.00 O ATOM 132 CG2 THR A 12 5.344 14.225 -6.911 1.00 0.00 C ATOM 0 H THR A 12 3.527 12.596 -6.361 1.00 0.00 H new ATOM 0 HA THR A 12 3.890 13.034 -9.208 1.00 0.00 H new ATOM 0 HB THR A 12 6.124 13.395 -8.717 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.171 12.402 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.307 14.614 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.797 15.009 -7.435 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.769 13.898 -6.045 1.00 0.00 H new ATOM 140 N LYS A 13 4.267 10.124 -7.739 1.00 0.00 N ATOM 141 CA LYS A 13 4.423 8.693 -7.973 1.00 0.00 C ATOM 142 C LYS A 13 3.251 7.914 -7.385 1.00 0.00 C ATOM 143 O LYS A 13 3.372 7.294 -6.329 1.00 0.00 O ATOM 144 CB LYS A 13 5.736 8.195 -7.363 1.00 0.00 C ATOM 145 CG LYS A 13 6.342 7.015 -8.102 1.00 0.00 C ATOM 146 CD LYS A 13 7.425 6.338 -7.280 1.00 0.00 C ATOM 147 CE LYS A 13 8.163 5.283 -8.090 1.00 0.00 C ATOM 148 NZ LYS A 13 7.290 4.120 -8.411 1.00 0.00 N ATOM 0 H LYS A 13 4.040 10.371 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 13 4.443 8.527 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.455 9.014 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.560 7.911 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.560 6.294 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.762 7.354 -9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.133 7.086 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.979 5.876 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.531 5.727 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.034 4.940 -7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.839 3.408 -8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.931 3.701 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.489 4.437 -8.994 1.00 0.00 H new ATOM 162 N ARG A 14 2.116 7.951 -8.077 1.00 0.00 N ATOM 163 CA ARG A 14 0.922 7.248 -7.623 1.00 0.00 C ATOM 164 C ARG A 14 1.216 5.769 -7.392 1.00 0.00 C ATOM 165 O ARG A 14 2.222 5.243 -7.870 1.00 0.00 O ATOM 166 CB ARG A 14 -0.205 7.401 -8.647 1.00 0.00 C ATOM 167 CG ARG A 14 0.105 6.767 -9.993 1.00 0.00 C ATOM 168 CD ARG A 14 -0.764 7.349 -11.096 1.00 0.00 C ATOM 169 NE ARG A 14 -2.023 6.622 -11.242 1.00 0.00 N ATOM 170 CZ ARG A 14 -3.104 6.870 -10.510 1.00 0.00 C ATOM 171 NH1 ARG A 14 -3.079 7.822 -9.587 1.00 0.00 N ATOM 172 NH2 ARG A 14 -4.212 6.166 -10.702 1.00 0.00 N ATOM 0 H ARG A 14 1.999 8.460 -8.953 1.00 0.00 H new ATOM 0 HA ARG A 14 0.608 7.690 -6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.113 6.953 -8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.410 8.461 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.156 6.922 -10.236 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.053 5.690 -9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.973 8.396 -10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.219 7.323 -12.039 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.075 5.884 -11.944 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.229 8.366 -9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.910 8.011 -9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.234 5.434 -11.412 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.041 6.357 -10.140 1.00 0.00 H new ATOM 186 N LEU A 15 0.333 5.104 -6.655 1.00 0.00 N ATOM 187 CA LEU A 15 0.498 3.685 -6.359 1.00 0.00 C ATOM 188 C LEU A 15 0.409 2.849 -7.632 1.00 0.00 C ATOM 189 O LEU A 15 0.012 3.345 -8.687 1.00 0.00 O ATOM 190 CB LEU A 15 -0.564 3.226 -5.359 1.00 0.00 C ATOM 191 CG LEU A 15 -0.274 3.523 -3.887 1.00 0.00 C ATOM 192 CD1 LEU A 15 -1.463 3.140 -3.020 1.00 0.00 C ATOM 193 CD2 LEU A 15 0.979 2.789 -3.432 1.00 0.00 C ATOM 0 H LEU A 15 -0.504 5.524 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 15 1.486 3.543 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.511 3.696 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.700 2.150 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.103 4.594 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.238 3.359 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.338 3.711 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.667 2.075 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.170 3.012 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.837 1.715 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.829 3.113 -4.032 1.00 0.00 H new ATOM 205 N LYS A 16 0.781 1.578 -7.526 1.00 0.00 N ATOM 206 CA LYS A 16 0.740 0.671 -8.667 1.00 0.00 C ATOM 207 C LYS A 16 0.109 -0.663 -8.279 1.00 0.00 C ATOM 208 O LYS A 16 0.329 -1.170 -7.179 1.00 0.00 O ATOM 209 CB LYS A 16 2.151 0.440 -9.211 1.00 0.00 C ATOM 210 CG LYS A 16 2.816 1.702 -9.733 1.00 0.00 C ATOM 211 CD LYS A 16 2.278 2.092 -11.099 1.00 0.00 C ATOM 212 CE LYS A 16 2.841 1.200 -12.195 1.00 0.00 C ATOM 213 NZ LYS A 16 2.597 1.766 -13.551 1.00 0.00 N ATOM 0 H LYS A 16 1.114 1.152 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 16 0.128 1.131 -9.443 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.770 0.013 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.106 -0.296 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.652 2.518 -9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.893 1.547 -9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.190 2.024 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.532 3.131 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.913 1.070 -12.043 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.387 0.211 -12.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.996 1.129 -14.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.574 1.866 -13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.051 2.699 -13.625 1.00 0.00 H new ATOM 227 N THR A 17 -0.676 -1.228 -9.191 1.00 0.00 N ATOM 228 CA THR A 17 -1.339 -2.502 -8.945 1.00 0.00 C ATOM 229 C THR A 17 -0.324 -3.628 -8.783 1.00 0.00 C ATOM 230 O THR A 17 0.533 -3.832 -9.642 1.00 0.00 O ATOM 231 CB THR A 17 -2.308 -2.861 -10.087 1.00 0.00 C ATOM 232 OG1 THR A 17 -3.294 -1.833 -10.235 1.00 0.00 O ATOM 233 CG2 THR A 17 -2.993 -4.193 -9.817 1.00 0.00 C ATOM 0 H THR A 17 -0.868 -0.823 -10.107 1.00 0.00 H new ATOM 0 HA THR A 17 -1.905 -2.390 -8.020 1.00 0.00 H new ATOM 0 HB THR A 17 -1.732 -2.947 -11.009 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.905 -2.068 -10.964 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.672 -4.426 -10.637 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.242 -4.978 -9.735 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.556 -4.130 -8.886 1.00 0.00 H new ATOM 241 N MET A 18 -0.426 -4.356 -7.676 1.00 0.00 N ATOM 242 CA MET A 18 0.483 -5.463 -7.403 1.00 0.00 C ATOM 243 C MET A 18 -0.237 -6.802 -7.527 1.00 0.00 C ATOM 244 O MET A 18 -1.463 -6.867 -7.436 1.00 0.00 O ATOM 245 CB MET A 18 1.086 -5.322 -6.004 1.00 0.00 C ATOM 246 CG MET A 18 2.163 -6.351 -5.700 1.00 0.00 C ATOM 247 SD MET A 18 3.615 -6.170 -6.754 1.00 0.00 S ATOM 248 CE MET A 18 4.589 -5.015 -5.792 1.00 0.00 C ATOM 0 H MET A 18 -1.129 -4.199 -6.954 1.00 0.00 H new ATOM 0 HA MET A 18 1.284 -5.433 -8.141 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.509 -4.323 -5.899 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.291 -5.411 -5.264 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.463 -6.259 -4.656 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.750 -7.352 -5.826 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.522 -4.803 -6.314 1.00 0.00 H new ATOM 0 HE2 MET A 18 4.029 -4.089 -5.659 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.810 -5.449 -4.817 1.00 0.00 H new ATOM 258 N GLU A 19 0.532 -7.866 -7.734 1.00 0.00 N ATOM 259 CA GLU A 19 -0.035 -9.202 -7.871 1.00 0.00 C ATOM 260 C GLU A 19 0.804 -10.229 -7.115 1.00 0.00 C ATOM 261 O GLU A 19 1.899 -10.590 -7.545 1.00 0.00 O ATOM 262 CB GLU A 19 -0.129 -9.592 -9.348 1.00 0.00 C ATOM 263 CG GLU A 19 -0.986 -10.821 -9.600 1.00 0.00 C ATOM 264 CD GLU A 19 -0.294 -12.108 -9.195 1.00 0.00 C ATOM 265 OE1 GLU A 19 -0.336 -12.452 -7.995 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.289 -12.770 -10.078 1.00 0.00 O ATOM 0 H GLU A 19 1.548 -7.829 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.037 -9.189 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.538 -8.753 -9.911 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.875 -9.775 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.921 -10.727 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.244 -10.869 -10.658 1.00 0.00 H new ATOM 273 N VAL A 20 0.281 -10.695 -5.986 1.00 0.00 N ATOM 274 CA VAL A 20 0.980 -11.681 -5.169 1.00 0.00 C ATOM 275 C VAL A 20 0.101 -12.898 -4.905 1.00 0.00 C ATOM 276 O VAL A 20 -1.019 -12.990 -5.409 1.00 0.00 O ATOM 277 CB VAL A 20 1.424 -11.080 -3.822 1.00 0.00 C ATOM 278 CG1 VAL A 20 1.936 -9.661 -4.014 1.00 0.00 C ATOM 279 CG2 VAL A 20 0.279 -11.112 -2.821 1.00 0.00 C ATOM 0 H VAL A 20 -0.624 -10.406 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 20 1.863 -11.989 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 20 2.240 -11.684 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.245 -9.252 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.787 -9.670 -4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.143 -9.042 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.611 -10.684 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.559 -10.532 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.036 -12.143 -2.662 1.00 0.00 H new ATOM 289 N LEU A 21 0.615 -13.831 -4.111 1.00 0.00 N ATOM 290 CA LEU A 21 -0.123 -15.044 -3.778 1.00 0.00 C ATOM 291 C LEU A 21 -0.531 -15.047 -2.309 1.00 0.00 C ATOM 292 O LEU A 21 0.228 -14.613 -1.443 1.00 0.00 O ATOM 293 CB LEU A 21 0.723 -16.281 -4.087 1.00 0.00 C ATOM 294 CG LEU A 21 0.037 -17.632 -3.885 1.00 0.00 C ATOM 295 CD1 LEU A 21 -0.696 -18.052 -5.150 1.00 0.00 C ATOM 296 CD2 LEU A 21 1.051 -18.690 -3.477 1.00 0.00 C ATOM 0 H LEU A 21 1.540 -13.770 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.027 -15.068 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.058 -16.218 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.615 -16.252 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.694 -17.531 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.178 -19.016 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.451 -17.306 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.015 -18.136 -5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.544 -19.645 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.806 -18.790 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.530 -18.394 -2.544 1.00 0.00 H new ATOM 308 N GLU A 22 -1.735 -15.542 -2.035 1.00 0.00 N ATOM 309 CA GLU A 22 -2.243 -15.602 -0.669 1.00 0.00 C ATOM 310 C GLU A 22 -1.198 -16.192 0.274 1.00 0.00 C ATOM 311 O GLU A 22 -0.798 -17.347 0.132 1.00 0.00 O ATOM 312 CB GLU A 22 -3.524 -16.437 -0.615 1.00 0.00 C ATOM 313 CG GLU A 22 -4.001 -16.727 0.798 1.00 0.00 C ATOM 314 CD GLU A 22 -5.081 -17.791 0.842 1.00 0.00 C ATOM 315 OE1 GLU A 22 -4.945 -18.805 0.127 1.00 0.00 O ATOM 316 OE2 GLU A 22 -6.063 -17.608 1.593 1.00 0.00 O ATOM 0 H GLU A 22 -2.376 -15.907 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.466 -14.585 -0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.312 -15.913 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.355 -17.381 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.154 -17.049 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.382 -15.809 1.244 1.00 0.00 H new ATOM 323 N GLY A 23 -0.759 -15.388 1.238 1.00 0.00 N ATOM 324 CA GLY A 23 0.236 -15.847 2.190 1.00 0.00 C ATOM 325 C GLY A 23 1.560 -15.124 2.040 1.00 0.00 C ATOM 326 O GLY A 23 2.309 -14.982 3.005 1.00 0.00 O ATOM 0 H GLY A 23 -1.074 -14.428 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.141 -15.702 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.393 -16.918 2.058 1.00 0.00 H new ATOM 330 N GLU A 24 1.848 -14.667 0.825 1.00 0.00 N ATOM 331 CA GLU A 24 3.092 -13.957 0.552 1.00 0.00 C ATOM 332 C GLU A 24 3.073 -12.566 1.179 1.00 0.00 C ATOM 333 O GLU A 24 2.088 -12.166 1.798 1.00 0.00 O ATOM 334 CB GLU A 24 3.321 -13.846 -0.957 1.00 0.00 C ATOM 335 CG GLU A 24 3.698 -15.163 -1.615 1.00 0.00 C ATOM 336 CD GLU A 24 4.403 -14.970 -2.943 1.00 0.00 C ATOM 337 OE1 GLU A 24 4.011 -14.053 -3.695 1.00 0.00 O ATOM 338 OE2 GLU A 24 5.347 -15.736 -3.231 1.00 0.00 O ATOM 0 H GLU A 24 1.237 -14.776 0.015 1.00 0.00 H new ATOM 0 HA GLU A 24 3.910 -14.525 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.415 -13.462 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.110 -13.118 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.344 -15.729 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.798 -15.759 -1.769 1.00 0.00 H new ATOM 345 N SER A 25 4.171 -11.835 1.014 1.00 0.00 N ATOM 346 CA SER A 25 4.283 -10.490 1.567 1.00 0.00 C ATOM 347 C SER A 25 4.903 -9.535 0.551 1.00 0.00 C ATOM 348 O SER A 25 5.944 -9.827 -0.038 1.00 0.00 O ATOM 349 CB SER A 25 5.125 -10.510 2.844 1.00 0.00 C ATOM 350 OG SER A 25 6.481 -10.805 2.557 1.00 0.00 O ATOM 0 H SER A 25 4.995 -12.151 0.502 1.00 0.00 H new ATOM 0 HA SER A 25 3.280 -10.137 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.058 -9.543 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.726 -11.253 3.534 1.00 0.00 H new ATOM 0 HG SER A 25 6.678 -10.567 1.627 1.00 0.00 H new ATOM 356 N CYS A 26 4.254 -8.393 0.351 1.00 0.00 N ATOM 357 CA CYS A 26 4.739 -7.394 -0.595 1.00 0.00 C ATOM 358 C CYS A 26 4.918 -6.042 0.088 1.00 0.00 C ATOM 359 O CYS A 26 4.734 -5.917 1.298 1.00 0.00 O ATOM 360 CB CYS A 26 3.771 -7.261 -1.771 1.00 0.00 C ATOM 361 SG CYS A 26 2.196 -6.481 -1.345 1.00 0.00 S ATOM 0 H CYS A 26 3.391 -8.136 0.831 1.00 0.00 H new ATOM 0 HA CYS A 26 5.708 -7.724 -0.969 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.251 -6.680 -2.559 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.575 -8.252 -2.180 1.00 0.00 H new ATOM 0 HG CYS A 26 2.105 -5.332 -1.945 1.00 0.00 H new ATOM 367 N SER A 27 5.281 -5.032 -0.697 1.00 0.00 N ATOM 368 CA SER A 27 5.491 -3.689 -0.168 1.00 0.00 C ATOM 369 C SER A 27 5.239 -2.636 -1.243 1.00 0.00 C ATOM 370 O SER A 27 5.989 -2.532 -2.213 1.00 0.00 O ATOM 371 CB SER A 27 6.914 -3.550 0.376 1.00 0.00 C ATOM 372 OG SER A 27 7.872 -3.924 -0.598 1.00 0.00 O ATOM 0 H SER A 27 5.436 -5.118 -1.701 1.00 0.00 H new ATOM 0 HA SER A 27 4.782 -3.530 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.089 -2.520 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.030 -4.173 1.263 1.00 0.00 H new ATOM 0 HG SER A 27 7.551 -3.668 -1.488 1.00 0.00 H new ATOM 378 N PHE A 28 4.178 -1.857 -1.062 1.00 0.00 N ATOM 379 CA PHE A 28 3.825 -0.812 -2.016 1.00 0.00 C ATOM 380 C PHE A 28 4.719 0.412 -1.837 1.00 0.00 C ATOM 381 O PHE A 28 5.551 0.457 -0.932 1.00 0.00 O ATOM 382 CB PHE A 28 2.357 -0.415 -1.850 1.00 0.00 C ATOM 383 CG PHE A 28 1.394 -1.466 -2.323 1.00 0.00 C ATOM 384 CD1 PHE A 28 1.004 -2.496 -1.481 1.00 0.00 C ATOM 385 CD2 PHE A 28 0.879 -1.424 -3.608 1.00 0.00 C ATOM 386 CE1 PHE A 28 0.119 -3.464 -1.914 1.00 0.00 C ATOM 387 CE2 PHE A 28 -0.008 -2.390 -4.046 1.00 0.00 C ATOM 388 CZ PHE A 28 -0.389 -3.411 -3.198 1.00 0.00 C ATOM 0 H PHE A 28 3.548 -1.929 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 28 3.976 -1.206 -3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.163 -0.203 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.174 0.508 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.396 -2.542 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.174 -0.628 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.176 -4.262 -1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.402 -2.346 -5.050 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.082 -4.166 -3.537 1.00 0.00 H new ATOM 398 N GLU A 29 4.539 1.401 -2.706 1.00 0.00 N ATOM 399 CA GLU A 29 5.330 2.624 -2.645 1.00 0.00 C ATOM 400 C GLU A 29 4.560 3.800 -3.238 1.00 0.00 C ATOM 401 O GLU A 29 3.950 3.684 -4.302 1.00 0.00 O ATOM 402 CB GLU A 29 6.654 2.440 -3.389 1.00 0.00 C ATOM 403 CG GLU A 29 7.533 1.346 -2.807 1.00 0.00 C ATOM 404 CD GLU A 29 8.769 1.082 -3.645 1.00 0.00 C ATOM 405 OE1 GLU A 29 8.684 0.265 -4.585 1.00 0.00 O ATOM 406 OE2 GLU A 29 9.820 1.693 -3.360 1.00 0.00 O ATOM 0 H GLU A 29 3.853 1.379 -3.460 1.00 0.00 H new ATOM 0 HA GLU A 29 5.538 2.839 -1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.445 2.209 -4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.203 3.382 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.836 1.627 -1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.954 0.427 -2.722 1.00 0.00 H new ATOM 413 N CYS A 30 4.591 4.932 -2.543 1.00 0.00 N ATOM 414 CA CYS A 30 3.895 6.129 -2.999 1.00 0.00 C ATOM 415 C CYS A 30 4.651 7.388 -2.586 1.00 0.00 C ATOM 416 O CYS A 30 4.820 7.662 -1.398 1.00 0.00 O ATOM 417 CB CYS A 30 2.474 6.165 -2.435 1.00 0.00 C ATOM 418 SG CYS A 30 1.460 7.519 -3.073 1.00 0.00 S ATOM 0 H CYS A 30 5.091 5.045 -1.661 1.00 0.00 H new ATOM 0 HA CYS A 30 3.845 6.097 -4.087 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.981 5.219 -2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.528 6.246 -1.349 1.00 0.00 H new ATOM 0 HG CYS A 30 0.722 7.997 -2.115 1.00 0.00 H new ATOM 424 N VAL A 31 5.105 8.151 -3.576 1.00 0.00 N ATOM 425 CA VAL A 31 5.844 9.381 -3.316 1.00 0.00 C ATOM 426 C VAL A 31 4.962 10.606 -3.524 1.00 0.00 C ATOM 427 O VAL A 31 4.100 10.623 -4.404 1.00 0.00 O ATOM 428 CB VAL A 31 7.083 9.493 -4.224 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.000 10.607 -3.741 1.00 0.00 C ATOM 430 CG2 VAL A 31 7.826 8.167 -4.279 1.00 0.00 C ATOM 0 H VAL A 31 4.974 7.939 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 31 6.167 9.343 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 31 6.751 9.739 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.870 10.671 -4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.462 11.555 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.326 10.394 -2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.698 8.265 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.147 7.888 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.166 7.396 -4.676 1.00 0.00 H new ATOM 440 N LEU A 32 5.181 11.632 -2.709 1.00 0.00 N ATOM 441 CA LEU A 32 4.406 12.864 -2.803 1.00 0.00 C ATOM 442 C LEU A 32 5.302 14.044 -3.167 1.00 0.00 C ATOM 443 O LEU A 32 6.445 14.129 -2.720 1.00 0.00 O ATOM 444 CB LEU A 32 3.690 13.142 -1.480 1.00 0.00 C ATOM 445 CG LEU A 32 3.064 11.930 -0.789 1.00 0.00 C ATOM 446 CD1 LEU A 32 2.810 12.227 0.681 1.00 0.00 C ATOM 447 CD2 LEU A 32 1.772 11.528 -1.485 1.00 0.00 C ATOM 0 H LEU A 32 5.889 11.635 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 32 3.664 12.738 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.402 13.599 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.906 13.877 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 32 3.763 11.096 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.364 11.354 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.753 12.466 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.130 13.074 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.340 10.664 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.067 12.358 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.982 11.273 -2.524 1.00 0.00 H new ATOM 459 N SER A 33 4.773 14.953 -3.980 1.00 0.00 N ATOM 460 CA SER A 33 5.525 16.127 -4.406 1.00 0.00 C ATOM 461 C SER A 33 5.959 16.960 -3.203 1.00 0.00 C ATOM 462 O SER A 33 7.054 17.522 -3.185 1.00 0.00 O ATOM 463 CB SER A 33 4.683 16.982 -5.355 1.00 0.00 C ATOM 464 OG SER A 33 5.505 17.747 -6.218 1.00 0.00 O ATOM 0 H SER A 33 3.827 14.899 -4.357 1.00 0.00 H new ATOM 0 HA SER A 33 6.417 15.785 -4.931 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.030 16.339 -5.945 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.040 17.646 -4.777 1.00 0.00 H new ATOM 0 HG SER A 33 4.943 18.283 -6.815 1.00 0.00 H new ATOM 470 N HIS A 34 5.090 17.035 -2.199 1.00 0.00 N ATOM 471 CA HIS A 34 5.383 17.798 -0.991 1.00 0.00 C ATOM 472 C HIS A 34 6.310 17.017 -0.066 1.00 0.00 C ATOM 473 O HIS A 34 6.565 15.833 -0.284 1.00 0.00 O ATOM 474 CB HIS A 34 4.087 18.147 -0.258 1.00 0.00 C ATOM 475 CG HIS A 34 4.290 19.059 0.913 1.00 0.00 C ATOM 476 ND1 HIS A 34 4.850 20.314 0.802 1.00 0.00 N ATOM 477 CD2 HIS A 34 4.001 18.893 2.225 1.00 0.00 C ATOM 478 CE1 HIS A 34 4.899 20.880 1.995 1.00 0.00 C ATOM 479 NE2 HIS A 34 4.389 20.038 2.876 1.00 0.00 N ATOM 0 H HIS A 34 4.179 16.577 -2.198 1.00 0.00 H new ATOM 0 HA HIS A 34 5.886 18.719 -1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.398 18.617 -0.959 1.00 0.00 H new ATOM 0 HB3 HIS A 34 3.614 17.227 0.086 1.00 0.00 H new ATOM 0 HD2 HIS A 34 3.549 18.022 2.676 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.289 21.863 2.213 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.298 20.210 3.877 1.00 0.00 H new ATOM 547 N PRO A 40 -0.291 14.074 9.250 1.00 0.00 N ATOM 548 CA PRO A 40 -0.672 12.702 9.597 1.00 0.00 C ATOM 549 C PRO A 40 -1.188 11.921 8.393 1.00 0.00 C ATOM 550 O PRO A 40 -2.187 12.296 7.781 1.00 0.00 O ATOM 551 CB PRO A 40 -1.788 12.894 10.628 1.00 0.00 C ATOM 552 CG PRO A 40 -2.360 14.234 10.321 1.00 0.00 C ATOM 553 CD PRO A 40 -1.214 15.069 9.820 1.00 0.00 C ATOM 0 HA PRO A 40 0.175 12.125 9.968 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.543 12.112 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.399 12.853 11.645 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.146 14.160 9.570 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.808 14.680 11.209 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.540 15.790 9.071 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.747 15.635 10.626 1.00 0.00 H new ATOM 561 N ALA A 41 -0.499 10.835 8.059 1.00 0.00 N ATOM 562 CA ALA A 41 -0.890 10.000 6.930 1.00 0.00 C ATOM 563 C ALA A 41 -1.746 8.824 7.386 1.00 0.00 C ATOM 564 O ALA A 41 -1.583 8.319 8.496 1.00 0.00 O ATOM 565 CB ALA A 41 0.344 9.502 6.191 1.00 0.00 C ATOM 0 H ALA A 41 0.333 10.513 8.554 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.488 10.607 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.038 8.880 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.916 10.354 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.963 8.916 6.870 1.00 0.00 H new ATOM 571 N MET A 42 -2.660 8.393 6.523 1.00 0.00 N ATOM 572 CA MET A 42 -3.542 7.276 6.838 1.00 0.00 C ATOM 573 C MET A 42 -3.643 6.313 5.659 1.00 0.00 C ATOM 574 O MET A 42 -3.975 6.716 4.544 1.00 0.00 O ATOM 575 CB MET A 42 -4.934 7.787 7.215 1.00 0.00 C ATOM 576 CG MET A 42 -5.705 6.840 8.119 1.00 0.00 C ATOM 577 SD MET A 42 -7.078 7.650 8.963 1.00 0.00 S ATOM 578 CE MET A 42 -8.214 6.278 9.155 1.00 0.00 C ATOM 0 H MET A 42 -2.809 8.801 5.600 1.00 0.00 H new ATOM 0 HA MET A 42 -3.118 6.740 7.687 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.835 8.752 7.713 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.509 7.956 6.304 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.087 6.009 7.527 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.026 6.418 8.860 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.116 6.621 9.662 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.477 5.884 8.174 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.741 5.494 9.746 1.00 0.00 H new ATOM 588 N TRP A 43 -3.354 5.042 5.913 1.00 0.00 N ATOM 589 CA TRP A 43 -3.413 4.022 4.871 1.00 0.00 C ATOM 590 C TRP A 43 -4.633 3.127 5.054 1.00 0.00 C ATOM 591 O TRP A 43 -4.783 2.467 6.084 1.00 0.00 O ATOM 592 CB TRP A 43 -2.138 3.178 4.884 1.00 0.00 C ATOM 593 CG TRP A 43 -0.994 3.818 4.157 1.00 0.00 C ATOM 594 CD1 TRP A 43 -0.163 4.791 4.633 1.00 0.00 C ATOM 595 CD2 TRP A 43 -0.557 3.530 2.824 1.00 0.00 C ATOM 596 NE1 TRP A 43 0.765 5.126 3.676 1.00 0.00 N ATOM 597 CE2 TRP A 43 0.544 4.366 2.558 1.00 0.00 C ATOM 598 CE3 TRP A 43 -0.988 2.646 1.831 1.00 0.00 C ATOM 599 CZ2 TRP A 43 1.218 4.344 1.339 1.00 0.00 C ATOM 600 CZ3 TRP A 43 -0.319 2.626 0.622 1.00 0.00 C ATOM 601 CH2 TRP A 43 0.774 3.469 0.385 1.00 0.00 C ATOM 0 H TRP A 43 -3.077 4.693 6.830 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.497 4.525 3.908 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.844 2.993 5.917 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.348 2.208 4.433 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.226 5.232 5.617 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.499 5.827 3.781 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.828 1.991 2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.060 4.994 1.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.645 1.949 -0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.277 3.428 -0.570 1.00 0.00 H new ATOM 612 N THR A 44 -5.503 3.106 4.049 1.00 0.00 N ATOM 613 CA THR A 44 -6.710 2.292 4.100 1.00 0.00 C ATOM 614 C THR A 44 -6.776 1.332 2.918 1.00 0.00 C ATOM 615 O THR A 44 -6.959 1.750 1.775 1.00 0.00 O ATOM 616 CB THR A 44 -7.978 3.166 4.108 1.00 0.00 C ATOM 617 OG1 THR A 44 -7.955 4.072 2.999 1.00 0.00 O ATOM 618 CG2 THR A 44 -8.087 3.950 5.407 1.00 0.00 C ATOM 0 H THR A 44 -5.393 3.644 3.189 1.00 0.00 H new ATOM 0 HA THR A 44 -6.666 1.720 5.027 1.00 0.00 H new ATOM 0 HB THR A 44 -8.845 2.511 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.160 3.900 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.990 4.560 5.389 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.133 3.257 6.247 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.216 4.596 5.517 1.00 0.00 H new ATOM 626 N VAL A 45 -6.627 0.041 3.200 1.00 0.00 N ATOM 627 CA VAL A 45 -6.672 -0.979 2.160 1.00 0.00 C ATOM 628 C VAL A 45 -7.839 -1.936 2.377 1.00 0.00 C ATOM 629 O VAL A 45 -7.845 -2.717 3.327 1.00 0.00 O ATOM 630 CB VAL A 45 -5.362 -1.788 2.110 1.00 0.00 C ATOM 631 CG1 VAL A 45 -5.125 -2.502 3.432 1.00 0.00 C ATOM 632 CG2 VAL A 45 -5.391 -2.779 0.957 1.00 0.00 C ATOM 0 H VAL A 45 -6.474 -0.323 4.141 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.805 -0.458 1.212 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.535 -1.097 1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.195 -3.068 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.057 -1.768 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.953 -3.182 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.458 -3.342 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.226 -3.467 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.510 -2.240 0.017 1.00 0.00 H new ATOM 642 N GLY A 46 -8.826 -1.868 1.489 1.00 0.00 N ATOM 643 CA GLY A 46 -9.985 -2.734 1.602 1.00 0.00 C ATOM 644 C GLY A 46 -11.043 -2.169 2.529 1.00 0.00 C ATOM 645 O GLY A 46 -12.238 -2.266 2.252 1.00 0.00 O ATOM 0 H GLY A 46 -8.844 -1.229 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.417 -2.888 0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.670 -3.711 1.968 1.00 0.00 H new ATOM 649 N GLY A 47 -10.603 -1.578 3.636 1.00 0.00 N ATOM 650 CA GLY A 47 -11.534 -1.006 4.592 1.00 0.00 C ATOM 651 C GLY A 47 -11.133 -1.283 6.027 1.00 0.00 C ATOM 652 O GLY A 47 -11.957 -1.699 6.841 1.00 0.00 O ATOM 0 H GLY A 47 -9.619 -1.485 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.594 0.071 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.530 -1.411 4.412 1.00 0.00 H new ATOM 656 N LYS A 48 -9.862 -1.051 6.340 1.00 0.00 N ATOM 657 CA LYS A 48 -9.352 -1.278 7.687 1.00 0.00 C ATOM 658 C LYS A 48 -8.149 -0.385 7.971 1.00 0.00 C ATOM 659 O LYS A 48 -7.315 -0.152 7.095 1.00 0.00 O ATOM 660 CB LYS A 48 -8.964 -2.747 7.868 1.00 0.00 C ATOM 661 CG LYS A 48 -10.113 -3.713 7.637 1.00 0.00 C ATOM 662 CD LYS A 48 -9.751 -5.124 8.069 1.00 0.00 C ATOM 663 CE LYS A 48 -10.866 -6.108 7.748 1.00 0.00 C ATOM 664 NZ LYS A 48 -10.451 -7.516 7.999 1.00 0.00 N ATOM 0 H LYS A 48 -9.166 -0.706 5.679 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.143 -1.028 8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.154 -2.988 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.577 -2.890 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.990 -3.376 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.383 -3.713 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.834 -5.435 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.549 -5.137 9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.742 -5.874 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.160 -5.996 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.238 -8.156 7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.630 -7.747 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.195 -7.629 9.001 1.00 0.00 H new ATOM 678 N THR A 49 -8.064 0.113 9.201 1.00 0.00 N ATOM 679 CA THR A 49 -6.962 0.980 9.599 1.00 0.00 C ATOM 680 C THR A 49 -5.710 0.170 9.914 1.00 0.00 C ATOM 681 O THR A 49 -5.540 -0.320 11.031 1.00 0.00 O ATOM 682 CB THR A 49 -7.333 1.830 10.830 1.00 0.00 C ATOM 683 OG1 THR A 49 -8.658 2.352 10.684 1.00 0.00 O ATOM 684 CG2 THR A 49 -6.349 2.975 11.014 1.00 0.00 C ATOM 0 H THR A 49 -8.745 -0.069 9.938 1.00 0.00 H new ATOM 0 HA THR A 49 -6.760 1.641 8.756 1.00 0.00 H new ATOM 0 HB THR A 49 -7.290 1.190 11.711 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.886 2.889 11.471 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.632 3.561 11.889 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.346 2.573 11.155 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.364 3.613 10.130 1.00 0.00 H new ATOM 692 N VAL A 50 -4.835 0.032 8.923 1.00 0.00 N ATOM 693 CA VAL A 50 -3.597 -0.718 9.095 1.00 0.00 C ATOM 694 C VAL A 50 -2.494 0.166 9.666 1.00 0.00 C ATOM 695 O VAL A 50 -2.555 1.391 9.573 1.00 0.00 O ATOM 696 CB VAL A 50 -3.117 -1.323 7.762 1.00 0.00 C ATOM 697 CG1 VAL A 50 -4.096 -2.379 7.272 1.00 0.00 C ATOM 698 CG2 VAL A 50 -2.931 -0.231 6.719 1.00 0.00 C ATOM 0 H VAL A 50 -4.961 0.430 7.992 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.811 -1.525 9.795 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.153 -1.805 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.741 -2.795 6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.174 -3.174 8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.076 -1.925 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.592 -0.675 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.879 0.281 6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.188 0.485 7.071 1.00 0.00 H new ATOM 772 N PHE A 56 0.222 -4.421 6.500 1.00 0.00 N ATOM 773 CA PHE A 56 0.099 -3.148 5.799 1.00 0.00 C ATOM 774 C PHE A 56 0.586 -1.996 6.674 1.00 0.00 C ATOM 775 O PHE A 56 -0.084 -0.971 6.796 1.00 0.00 O ATOM 776 CB PHE A 56 -1.355 -2.909 5.385 1.00 0.00 C ATOM 777 CG PHE A 56 -1.893 -3.960 4.456 1.00 0.00 C ATOM 778 CD1 PHE A 56 -2.501 -5.100 4.958 1.00 0.00 C ATOM 779 CD2 PHE A 56 -1.792 -3.808 3.083 1.00 0.00 C ATOM 780 CE1 PHE A 56 -2.999 -6.069 4.106 1.00 0.00 C ATOM 781 CE2 PHE A 56 -2.288 -4.773 2.227 1.00 0.00 C ATOM 782 CZ PHE A 56 -2.891 -5.906 2.739 1.00 0.00 C ATOM 0 HA PHE A 56 0.722 -3.191 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.978 -2.872 6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.432 -1.935 4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.587 -5.233 6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.320 -2.925 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.472 -6.952 4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.204 -4.642 1.158 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.277 -6.662 2.072 1.00 0.00 H new ATOM 792 N GLN A 57 1.755 -2.174 7.279 1.00 0.00 N ATOM 793 CA GLN A 57 2.331 -1.151 8.143 1.00 0.00 C ATOM 794 C GLN A 57 2.813 0.043 7.326 1.00 0.00 C ATOM 795 O GLN A 57 3.371 -0.119 6.242 1.00 0.00 O ATOM 796 CB GLN A 57 3.492 -1.731 8.953 1.00 0.00 C ATOM 797 CG GLN A 57 4.096 -0.747 9.942 1.00 0.00 C ATOM 798 CD GLN A 57 5.047 -1.410 10.918 1.00 0.00 C ATOM 799 OE1 GLN A 57 5.602 -2.473 10.637 1.00 0.00 O ATOM 800 NE2 GLN A 57 5.242 -0.785 12.073 1.00 0.00 N ATOM 0 H GLN A 57 2.322 -3.017 7.187 1.00 0.00 H new ATOM 0 HA GLN A 57 1.554 -0.811 8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.143 -2.610 9.495 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.270 -2.068 8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.627 0.032 9.395 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.295 -0.257 10.496 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.762 0.094 12.265 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.872 -1.184 12.769 1.00 0.00 H new ATOM 809 N ALA A 58 2.592 1.243 7.854 1.00 0.00 N ATOM 810 CA ALA A 58 3.005 2.464 7.173 1.00 0.00 C ATOM 811 C ALA A 58 4.338 2.970 7.714 1.00 0.00 C ATOM 812 O ALA A 58 4.438 3.369 8.875 1.00 0.00 O ATOM 813 CB ALA A 58 1.934 3.536 7.317 1.00 0.00 C ATOM 0 H ALA A 58 2.130 1.395 8.750 1.00 0.00 H new ATOM 0 HA ALA A 58 3.135 2.235 6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.255 4.442 6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.002 3.181 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.777 3.753 8.373 1.00 0.00 H new ATOM 819 N THR A 59 5.361 2.951 6.866 1.00 0.00 N ATOM 820 CA THR A 59 6.689 3.405 7.259 1.00 0.00 C ATOM 821 C THR A 59 6.966 4.811 6.738 1.00 0.00 C ATOM 822 O THR A 59 6.276 5.298 5.842 1.00 0.00 O ATOM 823 CB THR A 59 7.785 2.453 6.743 1.00 0.00 C ATOM 824 OG1 THR A 59 7.717 2.357 5.316 1.00 0.00 O ATOM 825 CG2 THR A 59 7.633 1.070 7.358 1.00 0.00 C ATOM 0 H THR A 59 5.295 2.626 5.902 1.00 0.00 H new ATOM 0 HA THR A 59 6.710 3.413 8.349 1.00 0.00 H new ATOM 0 HB THR A 59 8.755 2.858 7.034 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.908 1.868 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.418 0.415 6.979 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.714 1.143 8.443 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.659 0.659 7.094 1.00 0.00 H new ATOM 833 N ARG A 60 7.979 5.458 7.304 1.00 0.00 N ATOM 834 CA ARG A 60 8.347 6.808 6.896 1.00 0.00 C ATOM 835 C ARG A 60 9.769 6.842 6.344 1.00 0.00 C ATOM 836 O ARG A 60 10.737 6.705 7.091 1.00 0.00 O ATOM 837 CB ARG A 60 8.224 7.772 8.077 1.00 0.00 C ATOM 838 CG ARG A 60 8.198 9.236 7.669 1.00 0.00 C ATOM 839 CD ARG A 60 7.647 10.115 8.781 1.00 0.00 C ATOM 840 NE ARG A 60 8.682 10.507 9.734 1.00 0.00 N ATOM 841 CZ ARG A 60 8.541 11.499 10.605 1.00 0.00 C ATOM 842 NH1 ARG A 60 7.414 12.196 10.645 1.00 0.00 N ATOM 843 NH2 ARG A 60 9.529 11.796 11.440 1.00 0.00 N ATOM 0 H ARG A 60 8.560 5.069 8.047 1.00 0.00 H new ATOM 0 HA ARG A 60 7.663 7.121 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.313 7.542 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.060 7.608 8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.206 9.561 7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.587 9.355 6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.197 11.008 8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.855 9.581 9.306 1.00 0.00 H new ATOM 0 HE ARG A 60 9.561 9.990 9.730 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.652 11.971 10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.309 12.958 11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.398 11.262 11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.420 12.558 12.109 1.00 0.00 H new ATOM 857 N GLN A 61 9.885 7.023 5.032 1.00 0.00 N ATOM 858 CA GLN A 61 11.188 7.073 4.381 1.00 0.00 C ATOM 859 C GLN A 61 11.293 8.288 3.465 1.00 0.00 C ATOM 860 O GLN A 61 10.461 8.484 2.580 1.00 0.00 O ATOM 861 CB GLN A 61 11.431 5.793 3.580 1.00 0.00 C ATOM 862 CG GLN A 61 12.890 5.568 3.218 1.00 0.00 C ATOM 863 CD GLN A 61 13.395 6.558 2.188 1.00 0.00 C ATOM 864 OE1 GLN A 61 12.653 6.983 1.302 1.00 0.00 O ATOM 865 NE2 GLN A 61 14.665 6.933 2.298 1.00 0.00 N ATOM 0 H GLN A 61 9.093 7.137 4.400 1.00 0.00 H new ATOM 0 HA GLN A 61 11.950 7.158 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 61 11.073 4.940 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.840 5.830 2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 61 13.500 5.644 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.013 4.555 2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.245 6.556 3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.060 7.598 1.633 1.00 0.00 H new ATOM 874 N GLY A 62 12.322 9.101 3.683 1.00 0.00 N ATOM 875 CA GLY A 62 12.516 10.287 2.869 1.00 0.00 C ATOM 876 C GLY A 62 11.209 10.969 2.517 1.00 0.00 C ATOM 877 O GLY A 62 10.647 11.705 3.328 1.00 0.00 O ATOM 0 H GLY A 62 13.025 8.960 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.156 10.989 3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.038 10.013 1.952 1.00 0.00 H new ATOM 881 N ARG A 63 10.724 10.725 1.304 1.00 0.00 N ATOM 882 CA ARG A 63 9.476 11.323 0.845 1.00 0.00 C ATOM 883 C ARG A 63 8.573 10.272 0.206 1.00 0.00 C ATOM 884 O ARG A 63 7.556 10.601 -0.406 1.00 0.00 O ATOM 885 CB ARG A 63 9.761 12.443 -0.157 1.00 0.00 C ATOM 886 CG ARG A 63 10.923 12.144 -1.091 1.00 0.00 C ATOM 887 CD ARG A 63 12.251 12.559 -0.478 1.00 0.00 C ATOM 888 NE ARG A 63 13.263 12.830 -1.496 1.00 0.00 N ATOM 889 CZ ARG A 63 14.568 12.843 -1.250 1.00 0.00 C ATOM 890 NH1 ARG A 63 15.018 12.601 -0.027 1.00 0.00 N ATOM 891 NH2 ARG A 63 15.427 13.098 -2.229 1.00 0.00 N ATOM 0 H ARG A 63 11.176 10.117 0.621 1.00 0.00 H new ATOM 0 HA ARG A 63 8.962 11.741 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.865 12.624 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.972 13.362 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.943 11.078 -1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.777 12.669 -2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.105 13.449 0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.606 11.770 0.185 1.00 0.00 H new ATOM 0 HE ARG A 63 12.950 13.020 -2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.361 12.404 0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.021 12.612 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.085 13.284 -3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.429 13.108 -2.039 1.00 0.00 H new ATOM 905 N LYS A 64 8.950 9.007 0.352 1.00 0.00 N ATOM 906 CA LYS A 64 8.175 7.907 -0.209 1.00 0.00 C ATOM 907 C LYS A 64 7.614 7.017 0.895 1.00 0.00 C ATOM 908 O LYS A 64 8.333 6.627 1.816 1.00 0.00 O ATOM 909 CB LYS A 64 9.042 7.076 -1.158 1.00 0.00 C ATOM 910 CG LYS A 64 8.414 5.750 -1.551 1.00 0.00 C ATOM 911 CD LYS A 64 9.443 4.800 -2.142 1.00 0.00 C ATOM 912 CE LYS A 64 9.857 5.227 -3.542 1.00 0.00 C ATOM 913 NZ LYS A 64 10.507 4.116 -4.291 1.00 0.00 N ATOM 0 H LYS A 64 9.789 8.718 0.855 1.00 0.00 H new ATOM 0 HA LYS A 64 7.341 8.332 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.239 7.657 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.005 6.886 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.953 5.291 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.619 5.923 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.321 4.765 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.032 3.791 -2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.980 5.571 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.543 6.071 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.504 4.352 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.452 3.241 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.019 3.978 -5.199 1.00 0.00 H new ATOM 927 N TYR A 65 6.328 6.699 0.797 1.00 0.00 N ATOM 928 CA TYR A 65 5.672 5.856 1.789 1.00 0.00 C ATOM 929 C TYR A 65 5.646 4.399 1.335 1.00 0.00 C ATOM 930 O TYR A 65 5.154 4.084 0.252 1.00 0.00 O ATOM 931 CB TYR A 65 4.246 6.347 2.044 1.00 0.00 C ATOM 932 CG TYR A 65 4.163 7.468 3.055 1.00 0.00 C ATOM 933 CD1 TYR A 65 4.314 7.217 4.413 1.00 0.00 C ATOM 934 CD2 TYR A 65 3.935 8.778 2.652 1.00 0.00 C ATOM 935 CE1 TYR A 65 4.238 8.238 5.341 1.00 0.00 C ATOM 936 CE2 TYR A 65 3.859 9.805 3.573 1.00 0.00 C ATOM 937 CZ TYR A 65 4.011 9.530 4.916 1.00 0.00 C ATOM 938 OH TYR A 65 3.936 10.550 5.836 1.00 0.00 O ATOM 0 H TYR A 65 5.719 7.012 0.041 1.00 0.00 H new ATOM 0 HA TYR A 65 6.242 5.919 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.814 6.686 1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.639 5.511 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.494 6.207 4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.815 8.997 1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.356 8.025 6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.681 10.818 3.243 1.00 0.00 H new ATOM 0 HH TYR A 65 3.773 11.398 5.372 1.00 0.00 H new ATOM 948 N ILE A 66 6.181 3.516 2.172 1.00 0.00 N ATOM 949 CA ILE A 66 6.218 2.093 1.858 1.00 0.00 C ATOM 950 C ILE A 66 5.276 1.306 2.763 1.00 0.00 C ATOM 951 O ILE A 66 5.505 1.193 3.968 1.00 0.00 O ATOM 952 CB ILE A 66 7.642 1.523 1.999 1.00 0.00 C ATOM 953 CG1 ILE A 66 8.573 2.156 0.962 1.00 0.00 C ATOM 954 CG2 ILE A 66 7.624 0.010 1.848 1.00 0.00 C ATOM 955 CD1 ILE A 66 9.249 3.419 1.449 1.00 0.00 C ATOM 0 H ILE A 66 6.594 3.761 3.072 1.00 0.00 H new ATOM 0 HA ILE A 66 5.894 1.989 0.822 1.00 0.00 H new ATOM 0 HB ILE A 66 8.018 1.765 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.336 1.431 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.001 2.383 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.638 -0.378 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.989 -0.425 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.232 -0.253 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.893 3.813 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.493 4.161 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.849 3.194 2.331 1.00 0.00 H new ATOM 967 N LEU A 67 4.217 0.762 2.174 1.00 0.00 N ATOM 968 CA LEU A 67 3.240 -0.018 2.926 1.00 0.00 C ATOM 969 C LEU A 67 3.638 -1.490 2.974 1.00 0.00 C ATOM 970 O LEU A 67 3.518 -2.209 1.982 1.00 0.00 O ATOM 971 CB LEU A 67 1.852 0.127 2.299 1.00 0.00 C ATOM 972 CG LEU A 67 0.685 -0.429 3.117 1.00 0.00 C ATOM 973 CD1 LEU A 67 0.415 0.450 4.328 1.00 0.00 C ATOM 974 CD2 LEU A 67 -0.562 -0.549 2.253 1.00 0.00 C ATOM 0 H LEU A 67 4.013 0.846 1.178 1.00 0.00 H new ATOM 0 HA LEU A 67 3.213 0.365 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.668 1.185 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.859 -0.370 1.329 1.00 0.00 H new ATOM 0 HG LEU A 67 0.955 -1.424 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.418 0.039 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.304 0.484 4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.166 1.458 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.382 -0.946 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.835 0.434 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.363 -1.221 1.418 1.00 0.00 H new ATOM 986 N VAL A 68 4.111 -1.932 4.135 1.00 0.00 N ATOM 987 CA VAL A 68 4.523 -3.319 4.313 1.00 0.00 C ATOM 988 C VAL A 68 3.316 -4.235 4.475 1.00 0.00 C ATOM 989 O VAL A 68 2.740 -4.337 5.559 1.00 0.00 O ATOM 990 CB VAL A 68 5.442 -3.478 5.540 1.00 0.00 C ATOM 991 CG1 VAL A 68 5.893 -4.923 5.685 1.00 0.00 C ATOM 992 CG2 VAL A 68 6.639 -2.545 5.433 1.00 0.00 C ATOM 0 H VAL A 68 4.218 -1.350 4.966 1.00 0.00 H new ATOM 0 HA VAL A 68 5.073 -3.603 3.416 1.00 0.00 H new ATOM 0 HB VAL A 68 4.878 -3.207 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.541 -5.016 6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.021 -5.565 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.440 -5.225 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.277 -2.670 6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.206 -2.782 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.292 -1.513 5.382 1.00 0.00 H new ATOM 1002 N VAL A 69 2.936 -4.901 3.389 1.00 0.00 N ATOM 1003 CA VAL A 69 1.797 -5.811 3.410 1.00 0.00 C ATOM 1004 C VAL A 69 2.193 -7.176 3.963 1.00 0.00 C ATOM 1005 O VAL A 69 2.977 -7.901 3.350 1.00 0.00 O ATOM 1006 CB VAL A 69 1.198 -5.994 2.003 1.00 0.00 C ATOM 1007 CG1 VAL A 69 0.060 -7.003 2.033 1.00 0.00 C ATOM 1008 CG2 VAL A 69 0.724 -4.659 1.449 1.00 0.00 C ATOM 0 H VAL A 69 3.400 -4.827 2.484 1.00 0.00 H new ATOM 0 HA VAL A 69 1.047 -5.362 4.061 1.00 0.00 H new ATOM 0 HB VAL A 69 1.975 -6.380 1.344 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.350 -7.119 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.435 -7.964 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.721 -6.650 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.304 -4.807 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.038 -4.242 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.567 -3.970 1.388 1.00 0.00 H new ATOM 1018 N ARG A 70 1.646 -7.519 5.124 1.00 0.00 N ATOM 1019 CA ARG A 70 1.944 -8.797 5.760 1.00 0.00 C ATOM 1020 C ARG A 70 0.660 -9.559 6.075 1.00 0.00 C ATOM 1021 O ARG A 70 -0.330 -8.973 6.512 1.00 0.00 O ATOM 1022 CB ARG A 70 2.747 -8.577 7.043 1.00 0.00 C ATOM 1023 CG ARG A 70 4.209 -8.241 6.797 1.00 0.00 C ATOM 1024 CD ARG A 70 4.947 -7.977 8.100 1.00 0.00 C ATOM 1025 NE ARG A 70 5.502 -9.201 8.671 1.00 0.00 N ATOM 1026 CZ ARG A 70 6.503 -9.881 8.123 1.00 0.00 C ATOM 1027 NH1 ARG A 70 7.056 -9.457 6.995 1.00 0.00 N ATOM 1028 NH2 ARG A 70 6.953 -10.986 8.703 1.00 0.00 N ATOM 0 H ARG A 70 0.995 -6.931 5.643 1.00 0.00 H new ATOM 0 HA ARG A 70 2.538 -9.391 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.289 -7.770 7.614 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.688 -9.476 7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.688 -9.064 6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.279 -7.364 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.751 -7.262 7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.265 -7.519 8.817 1.00 0.00 H new ATOM 0 HE ARG A 70 5.099 -9.554 9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.713 -8.607 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.825 -9.980 6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.530 -11.315 9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.722 -11.507 8.281 1.00 0.00 H new ATOM 1042 N GLU A 71 0.685 -10.869 5.850 1.00 0.00 N ATOM 1043 CA GLU A 71 -0.478 -11.710 6.109 1.00 0.00 C ATOM 1044 C GLU A 71 -1.596 -11.415 5.113 1.00 0.00 C ATOM 1045 O GLU A 71 -2.775 -11.437 5.464 1.00 0.00 O ATOM 1046 CB GLU A 71 -0.982 -11.496 7.538 1.00 0.00 C ATOM 1047 CG GLU A 71 0.127 -11.461 8.576 1.00 0.00 C ATOM 1048 CD GLU A 71 0.810 -12.804 8.744 1.00 0.00 C ATOM 1049 OE1 GLU A 71 0.131 -13.767 9.157 1.00 0.00 O ATOM 1050 OE2 GLU A 71 2.024 -12.892 8.464 1.00 0.00 O ATOM 0 H GLU A 71 1.497 -11.370 5.489 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.176 -12.750 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.538 -10.560 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.680 -12.294 7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.867 -10.715 8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.287 -11.145 9.534 1.00 0.00 H new ATOM 1057 N ALA A 72 -1.215 -11.137 3.871 1.00 0.00 N ATOM 1058 CA ALA A 72 -2.184 -10.838 2.824 1.00 0.00 C ATOM 1059 C ALA A 72 -3.318 -11.858 2.818 1.00 0.00 C ATOM 1060 O ALA A 72 -3.236 -12.895 3.475 1.00 0.00 O ATOM 1061 CB ALA A 72 -1.499 -10.800 1.466 1.00 0.00 C ATOM 0 H ALA A 72 -0.242 -11.113 3.565 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.613 -9.857 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.235 -10.576 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.729 -10.029 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.042 -11.768 1.262 1.00 0.00 H new ATOM 1067 N ALA A 73 -4.375 -11.556 2.072 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.525 -12.447 1.979 1.00 0.00 C ATOM 1069 C ALA A 73 -6.328 -12.179 0.711 1.00 0.00 C ATOM 1070 O ALA A 73 -6.265 -11.098 0.125 1.00 0.00 O ATOM 1071 CB ALA A 73 -6.410 -12.296 3.208 1.00 0.00 C ATOM 0 H ALA A 73 -4.459 -10.701 1.523 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.156 -13.472 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.265 -12.967 3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.838 -12.546 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.762 -11.267 3.279 1.00 0.00 H new ATOM 1077 N PRO A 74 -7.100 -13.185 0.274 1.00 0.00 N ATOM 1078 CA PRO A 74 -7.929 -13.081 -0.930 1.00 0.00 C ATOM 1079 C PRO A 74 -9.106 -12.130 -0.743 1.00 0.00 C ATOM 1080 O PRO A 74 -9.672 -11.629 -1.715 1.00 0.00 O ATOM 1081 CB PRO A 74 -8.428 -14.513 -1.142 1.00 0.00 C ATOM 1082 CG PRO A 74 -8.389 -15.132 0.213 1.00 0.00 C ATOM 1083 CD PRO A 74 -7.223 -14.502 0.923 1.00 0.00 C ATOM 0 HA PRO A 74 -7.371 -12.680 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.437 -14.524 -1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.792 -15.054 -1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.319 -14.950 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.267 -16.213 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.408 -14.407 1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.315 -15.093 0.807 1.00 0.00 H new ATOM 1091 N SER A 75 -9.468 -11.883 0.512 1.00 0.00 N ATOM 1092 CA SER A 75 -10.580 -10.994 0.825 1.00 0.00 C ATOM 1093 C SER A 75 -10.165 -9.533 0.680 1.00 0.00 C ATOM 1094 O SER A 75 -10.816 -8.758 -0.021 1.00 0.00 O ATOM 1095 CB SER A 75 -11.083 -11.253 2.247 1.00 0.00 C ATOM 1096 OG SER A 75 -10.028 -11.152 3.188 1.00 0.00 O ATOM 0 H SER A 75 -9.007 -12.286 1.328 1.00 0.00 H new ATOM 0 HA SER A 75 -11.385 -11.197 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 75 -11.866 -10.536 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.530 -12.245 2.303 1.00 0.00 H new ATOM 0 HG SER A 75 -10.376 -11.320 4.089 1.00 0.00 H new ATOM 1102 N ASP A 76 -9.076 -9.165 1.346 1.00 0.00 N ATOM 1103 CA ASP A 76 -8.572 -7.798 1.291 1.00 0.00 C ATOM 1104 C ASP A 76 -8.520 -7.295 -0.148 1.00 0.00 C ATOM 1105 O ASP A 76 -8.843 -6.140 -0.425 1.00 0.00 O ATOM 1106 CB ASP A 76 -7.181 -7.719 1.922 1.00 0.00 C ATOM 1107 CG ASP A 76 -7.207 -7.978 3.416 1.00 0.00 C ATOM 1108 OD1 ASP A 76 -8.269 -7.762 4.037 1.00 0.00 O ATOM 1109 OD2 ASP A 76 -6.167 -8.399 3.963 1.00 0.00 O ATOM 0 H ASP A 76 -8.525 -9.794 1.930 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.255 -7.163 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.526 -8.446 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.756 -6.733 1.734 1.00 0.00 H new ATOM 1114 N ALA A 77 -8.110 -8.170 -1.061 1.00 0.00 N ATOM 1115 CA ALA A 77 -8.017 -7.816 -2.471 1.00 0.00 C ATOM 1116 C ALA A 77 -9.190 -6.939 -2.896 1.00 0.00 C ATOM 1117 O ALA A 77 -10.341 -7.373 -2.874 1.00 0.00 O ATOM 1118 CB ALA A 77 -7.956 -9.071 -3.328 1.00 0.00 C ATOM 0 H ALA A 77 -7.837 -9.130 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.100 -7.246 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.887 -8.791 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.081 -9.659 -3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.857 -9.664 -3.169 1.00 0.00 H new ATOM 1124 N GLY A 78 -8.891 -5.702 -3.282 1.00 0.00 N ATOM 1125 CA GLY A 78 -9.932 -4.785 -3.705 1.00 0.00 C ATOM 1126 C GLY A 78 -9.379 -3.445 -4.149 1.00 0.00 C ATOM 1127 O GLY A 78 -9.445 -3.099 -5.328 1.00 0.00 O ATOM 0 H GLY A 78 -7.946 -5.319 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.495 -5.232 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.632 -4.632 -2.884 1.00 0.00 H new ATOM 1131 N GLU A 79 -8.833 -2.688 -3.202 1.00 0.00 N ATOM 1132 CA GLU A 79 -8.269 -1.378 -3.502 1.00 0.00 C ATOM 1133 C GLU A 79 -7.520 -0.818 -2.296 1.00 0.00 C ATOM 1134 O GLU A 79 -7.948 -0.984 -1.154 1.00 0.00 O ATOM 1135 CB GLU A 79 -9.373 -0.408 -3.926 1.00 0.00 C ATOM 1136 CG GLU A 79 -8.873 0.754 -4.769 1.00 0.00 C ATOM 1137 CD GLU A 79 -8.879 0.443 -6.253 1.00 0.00 C ATOM 1138 OE1 GLU A 79 -8.368 -0.630 -6.638 1.00 0.00 O ATOM 1139 OE2 GLU A 79 -9.396 1.273 -7.030 1.00 0.00 O ATOM 0 H GLU A 79 -8.770 -2.960 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.563 -1.495 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.129 -0.955 -4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.862 -0.015 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.497 1.628 -4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.860 1.013 -4.460 1.00 0.00 H new ATOM 1146 N VAL A 80 -6.398 -0.155 -2.559 1.00 0.00 N ATOM 1147 CA VAL A 80 -5.590 0.430 -1.496 1.00 0.00 C ATOM 1148 C VAL A 80 -5.578 1.952 -1.588 1.00 0.00 C ATOM 1149 O VAL A 80 -4.797 2.533 -2.342 1.00 0.00 O ATOM 1150 CB VAL A 80 -4.140 -0.087 -1.544 1.00 0.00 C ATOM 1151 CG1 VAL A 80 -3.396 0.286 -0.271 1.00 0.00 C ATOM 1152 CG2 VAL A 80 -4.119 -1.593 -1.762 1.00 0.00 C ATOM 0 H VAL A 80 -6.028 -0.010 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.044 0.130 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.632 0.387 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.374 -0.088 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.380 1.371 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.900 -0.157 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.087 -1.942 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.644 -2.086 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.611 -1.831 -2.705 1.00 0.00 H new ATOM 1162 N VAL A 81 -6.449 2.593 -0.816 1.00 0.00 N ATOM 1163 CA VAL A 81 -6.539 4.048 -0.809 1.00 0.00 C ATOM 1164 C VAL A 81 -5.617 4.651 0.245 1.00 0.00 C ATOM 1165 O VAL A 81 -5.595 4.207 1.393 1.00 0.00 O ATOM 1166 CB VAL A 81 -7.981 4.521 -0.544 1.00 0.00 C ATOM 1167 CG1 VAL A 81 -8.035 6.037 -0.441 1.00 0.00 C ATOM 1168 CG2 VAL A 81 -8.914 4.018 -1.635 1.00 0.00 C ATOM 0 H VAL A 81 -7.103 2.127 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.229 4.388 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.313 4.105 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.061 6.353 -0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.398 6.369 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.684 6.478 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.929 4.361 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.586 4.404 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.897 2.928 -1.655 1.00 0.00 H new ATOM 1178 N PHE A 82 -4.855 5.664 -0.153 1.00 0.00 N ATOM 1179 CA PHE A 82 -3.929 6.329 0.757 1.00 0.00 C ATOM 1180 C PHE A 82 -4.058 7.845 0.653 1.00 0.00 C ATOM 1181 O PHE A 82 -3.655 8.446 -0.343 1.00 0.00 O ATOM 1182 CB PHE A 82 -2.491 5.905 0.454 1.00 0.00 C ATOM 1183 CG PHE A 82 -1.461 6.869 0.970 1.00 0.00 C ATOM 1184 CD1 PHE A 82 -1.368 7.145 2.324 1.00 0.00 C ATOM 1185 CD2 PHE A 82 -0.586 7.500 0.100 1.00 0.00 C ATOM 1186 CE1 PHE A 82 -0.421 8.031 2.803 1.00 0.00 C ATOM 1187 CE2 PHE A 82 0.363 8.386 0.572 1.00 0.00 C ATOM 1188 CZ PHE A 82 0.445 8.653 1.925 1.00 0.00 C ATOM 0 H PHE A 82 -4.860 6.043 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.181 6.031 1.775 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.310 4.923 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.371 5.800 -0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.044 6.662 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.647 7.297 -0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.358 8.236 3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.040 8.870 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.185 9.347 2.296 1.00 0.00 H new ATOM 1198 N SER A 83 -4.622 8.458 1.688 1.00 0.00 N ATOM 1199 CA SER A 83 -4.809 9.904 1.712 1.00 0.00 C ATOM 1200 C SER A 83 -3.775 10.570 2.615 1.00 0.00 C ATOM 1201 O SER A 83 -3.550 10.137 3.745 1.00 0.00 O ATOM 1202 CB SER A 83 -6.220 10.250 2.192 1.00 0.00 C ATOM 1203 OG SER A 83 -6.363 11.646 2.391 1.00 0.00 O ATOM 0 H SER A 83 -4.958 7.976 2.522 1.00 0.00 H new ATOM 0 HA SER A 83 -4.676 10.279 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.951 9.907 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.430 9.723 3.123 1.00 0.00 H new ATOM 0 HG SER A 83 -5.944 12.127 1.647 1.00 0.00 H new ATOM 1209 N VAL A 84 -3.148 11.627 2.108 1.00 0.00 N ATOM 1210 CA VAL A 84 -2.139 12.355 2.867 1.00 0.00 C ATOM 1211 C VAL A 84 -2.366 13.860 2.782 1.00 0.00 C ATOM 1212 O VAL A 84 -2.528 14.413 1.694 1.00 0.00 O ATOM 1213 CB VAL A 84 -0.719 12.033 2.366 1.00 0.00 C ATOM 1214 CG1 VAL A 84 -0.541 12.496 0.928 1.00 0.00 C ATOM 1215 CG2 VAL A 84 0.323 12.670 3.273 1.00 0.00 C ATOM 0 H VAL A 84 -3.322 11.998 1.174 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.232 12.034 3.905 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.580 10.952 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.469 12.260 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.264 11.988 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.700 13.573 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.321 12.432 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.187 13.751 3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.209 12.283 4.286 1.00 0.00 H new ATOM 1225 N ARG A 85 -2.377 14.517 3.937 1.00 0.00 N ATOM 1226 CA ARG A 85 -2.586 15.959 3.994 1.00 0.00 C ATOM 1227 C ARG A 85 -3.543 16.414 2.895 1.00 0.00 C ATOM 1228 O ARG A 85 -3.406 17.510 2.354 1.00 0.00 O ATOM 1229 CB ARG A 85 -1.251 16.695 3.859 1.00 0.00 C ATOM 1230 CG ARG A 85 -0.293 16.042 2.877 1.00 0.00 C ATOM 1231 CD ARG A 85 -0.674 16.350 1.438 1.00 0.00 C ATOM 1232 NE ARG A 85 -0.061 17.587 0.961 1.00 0.00 N ATOM 1233 CZ ARG A 85 -0.384 18.174 -0.185 1.00 0.00 C ATOM 1234 NH1 ARG A 85 -1.311 17.640 -0.969 1.00 0.00 N ATOM 1235 NH2 ARG A 85 0.219 19.298 -0.550 1.00 0.00 N ATOM 0 H ARG A 85 -2.244 14.074 4.846 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.030 16.199 4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.441 17.720 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.774 16.748 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.721 16.392 3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.292 14.963 3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.367 15.523 0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.758 16.429 1.359 1.00 0.00 H new ATOM 0 HE ARG A 85 0.655 18.024 1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.778 16.776 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.557 18.093 -1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.932 19.712 0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.030 19.748 -1.431 1.00 0.00 H new ATOM 1249 N GLY A 86 -4.511 15.562 2.571 1.00 0.00 N ATOM 1250 CA GLY A 86 -5.476 15.894 1.539 1.00 0.00 C ATOM 1251 C GLY A 86 -5.406 14.949 0.356 1.00 0.00 C ATOM 1252 O GLY A 86 -6.390 14.286 0.022 1.00 0.00 O ATOM 0 H GLY A 86 -4.644 14.648 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.480 15.868 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.301 16.914 1.197 1.00 0.00 H new ATOM 1256 N LEU A 87 -4.243 14.886 -0.282 1.00 0.00 N ATOM 1257 CA LEU A 87 -4.049 14.016 -1.437 1.00 0.00 C ATOM 1258 C LEU A 87 -4.659 12.640 -1.190 1.00 0.00 C ATOM 1259 O LEU A 87 -5.026 12.304 -0.064 1.00 0.00 O ATOM 1260 CB LEU A 87 -2.558 13.877 -1.751 1.00 0.00 C ATOM 1261 CG LEU A 87 -1.978 14.905 -2.722 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -0.478 14.709 -2.873 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -2.669 14.810 -4.075 1.00 0.00 C ATOM 0 H LEU A 87 -3.419 15.427 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.553 14.469 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.003 13.938 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.385 12.882 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.155 15.901 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.082 15.450 -3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.004 14.828 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.279 13.708 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.243 15.549 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.524 13.812 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.735 15.001 -3.953 1.00 0.00 H new ATOM 1275 N THR A 88 -4.763 11.846 -2.251 1.00 0.00 N ATOM 1276 CA THR A 88 -5.328 10.506 -2.150 1.00 0.00 C ATOM 1277 C THR A 88 -4.986 9.671 -3.379 1.00 0.00 C ATOM 1278 O THR A 88 -5.340 10.029 -4.503 1.00 0.00 O ATOM 1279 CB THR A 88 -6.858 10.552 -1.985 1.00 0.00 C ATOM 1280 OG1 THR A 88 -7.237 11.724 -1.255 1.00 0.00 O ATOM 1281 CG2 THR A 88 -7.362 9.312 -1.260 1.00 0.00 C ATOM 0 H THR A 88 -4.463 12.108 -3.190 1.00 0.00 H new ATOM 0 HA THR A 88 -4.889 10.044 -1.266 1.00 0.00 H new ATOM 0 HB THR A 88 -7.307 10.581 -2.978 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.634 11.844 -0.492 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.446 9.367 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.098 8.423 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.904 9.257 -0.272 1.00 0.00 H new ATOM 1289 N SER A 89 -4.296 8.556 -3.159 1.00 0.00 N ATOM 1290 CA SER A 89 -3.904 7.672 -4.250 1.00 0.00 C ATOM 1291 C SER A 89 -4.735 6.392 -4.238 1.00 0.00 C ATOM 1292 O SER A 89 -5.077 5.870 -3.177 1.00 0.00 O ATOM 1293 CB SER A 89 -2.417 7.328 -4.146 1.00 0.00 C ATOM 1294 OG SER A 89 -2.211 6.199 -3.314 1.00 0.00 O ATOM 0 H SER A 89 -3.997 8.244 -2.235 1.00 0.00 H new ATOM 0 HA SER A 89 -4.085 8.193 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.016 7.129 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.870 8.182 -3.747 1.00 0.00 H new ATOM 0 HG SER A 89 -1.336 6.268 -2.879 1.00 0.00 H new ATOM 1300 N LYS A 90 -5.058 5.893 -5.426 1.00 0.00 N ATOM 1301 CA LYS A 90 -5.848 4.674 -5.555 1.00 0.00 C ATOM 1302 C LYS A 90 -5.078 3.606 -6.325 1.00 0.00 C ATOM 1303 O LYS A 90 -4.394 3.904 -7.304 1.00 0.00 O ATOM 1304 CB LYS A 90 -7.172 4.973 -6.262 1.00 0.00 C ATOM 1305 CG LYS A 90 -8.214 5.608 -5.359 1.00 0.00 C ATOM 1306 CD LYS A 90 -8.103 7.124 -5.359 1.00 0.00 C ATOM 1307 CE LYS A 90 -9.396 7.777 -4.896 1.00 0.00 C ATOM 1308 NZ LYS A 90 -9.840 7.255 -3.574 1.00 0.00 N ATOM 0 H LYS A 90 -4.785 6.314 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.055 4.297 -4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.982 5.636 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.574 4.046 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.210 5.315 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.093 5.233 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.285 7.430 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.857 7.472 -6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.255 8.856 -4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.177 7.601 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.623 7.838 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.161 6.271 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.047 7.290 -2.903 1.00 0.00 H new ATOM 1322 N ALA A 91 -5.195 2.360 -5.876 1.00 0.00 N ATOM 1323 CA ALA A 91 -4.513 1.247 -6.525 1.00 0.00 C ATOM 1324 C ALA A 91 -5.263 -0.062 -6.303 1.00 0.00 C ATOM 1325 O ALA A 91 -5.993 -0.211 -5.323 1.00 0.00 O ATOM 1326 CB ALA A 91 -3.084 1.133 -6.013 1.00 0.00 C ATOM 0 H ALA A 91 -5.756 2.096 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.489 1.443 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.586 0.298 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.545 2.055 -6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.096 0.964 -4.936 1.00 0.00 H new ATOM 1332 N SER A 92 -5.079 -1.007 -7.219 1.00 0.00 N ATOM 1333 CA SER A 92 -5.742 -2.302 -7.125 1.00 0.00 C ATOM 1334 C SER A 92 -4.762 -3.384 -6.682 1.00 0.00 C ATOM 1335 O SER A 92 -3.645 -3.473 -7.193 1.00 0.00 O ATOM 1336 CB SER A 92 -6.362 -2.680 -8.472 1.00 0.00 C ATOM 1337 OG SER A 92 -7.648 -2.104 -8.621 1.00 0.00 O ATOM 0 H SER A 92 -4.476 -0.900 -8.035 1.00 0.00 H new ATOM 0 HA SER A 92 -6.532 -2.224 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.714 -2.344 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.435 -3.765 -8.551 1.00 0.00 H new ATOM 0 HG SER A 92 -7.755 -1.373 -7.978 1.00 0.00 H new ATOM 1343 N LEU A 93 -5.187 -4.204 -5.727 1.00 0.00 N ATOM 1344 CA LEU A 93 -4.348 -5.281 -5.214 1.00 0.00 C ATOM 1345 C LEU A 93 -4.935 -6.644 -5.567 1.00 0.00 C ATOM 1346 O LEU A 93 -6.066 -6.958 -5.196 1.00 0.00 O ATOM 1347 CB LEU A 93 -4.196 -5.156 -3.697 1.00 0.00 C ATOM 1348 CG LEU A 93 -3.586 -6.362 -2.982 1.00 0.00 C ATOM 1349 CD1 LEU A 93 -2.128 -6.537 -3.379 1.00 0.00 C ATOM 1350 CD2 LEU A 93 -3.714 -6.209 -1.473 1.00 0.00 C ATOM 0 H LEU A 93 -6.108 -4.143 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.366 -5.197 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.579 -4.283 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.179 -4.964 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.134 -7.254 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.711 -7.400 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.060 -6.693 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.567 -5.643 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.275 -7.077 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.192 -5.307 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.767 -6.134 -1.203 1.00 0.00 H new ATOM 1362 N ILE A 94 -4.157 -7.449 -6.283 1.00 0.00 N ATOM 1363 CA ILE A 94 -4.599 -8.779 -6.683 1.00 0.00 C ATOM 1364 C ILE A 94 -3.977 -9.854 -5.798 1.00 0.00 C ATOM 1365 O ILE A 94 -2.771 -9.850 -5.551 1.00 0.00 O ATOM 1366 CB ILE A 94 -4.243 -9.072 -8.153 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -4.926 -8.061 -9.076 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -4.646 -10.492 -8.522 1.00 0.00 C ATOM 1369 CD1 ILE A 94 -4.096 -6.824 -9.337 1.00 0.00 C ATOM 0 H ILE A 94 -3.218 -7.204 -6.598 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.683 -8.799 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.164 -8.978 -8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.152 -8.544 -10.027 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.878 -7.764 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.388 -10.684 -9.563 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.118 -11.198 -7.881 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.721 -10.612 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.643 -6.152 -9.999 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.891 -6.317 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.155 -7.110 -9.807 1.00 0.00 H new ATOM 1381 N VAL A 95 -4.809 -10.775 -5.322 1.00 0.00 N ATOM 1382 CA VAL A 95 -4.341 -11.859 -4.466 1.00 0.00 C ATOM 1383 C VAL A 95 -4.910 -13.200 -4.917 1.00 0.00 C ATOM 1384 O VAL A 95 -6.115 -13.435 -4.829 1.00 0.00 O ATOM 1385 CB VAL A 95 -4.727 -11.618 -2.995 1.00 0.00 C ATOM 1386 CG1 VAL A 95 -4.348 -12.818 -2.140 1.00 0.00 C ATOM 1387 CG2 VAL A 95 -4.067 -10.351 -2.472 1.00 0.00 C ATOM 0 H VAL A 95 -5.811 -10.792 -5.515 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.254 -11.883 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.808 -11.488 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.628 -12.629 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.871 -13.703 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.272 -12.983 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.351 -10.196 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.984 -10.449 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.393 -9.498 -3.068 1.00 0.00 H new ATOM 1397 N ARG A 96 -4.035 -14.076 -5.398 1.00 0.00 N ATOM 1398 CA ARG A 96 -4.450 -15.394 -5.863 1.00 0.00 C ATOM 1399 C ARG A 96 -4.338 -16.425 -4.745 1.00 0.00 C ATOM 1400 O ARG A 96 -3.294 -16.552 -4.106 1.00 0.00 O ATOM 1401 CB ARG A 96 -3.599 -15.828 -7.058 1.00 0.00 C ATOM 1402 CG ARG A 96 -3.688 -14.882 -8.245 1.00 0.00 C ATOM 1403 CD ARG A 96 -5.040 -14.978 -8.934 1.00 0.00 C ATOM 1404 NE ARG A 96 -5.183 -16.222 -9.686 1.00 0.00 N ATOM 1405 CZ ARG A 96 -6.350 -16.692 -10.112 1.00 0.00 C ATOM 1406 NH1 ARG A 96 -7.469 -16.025 -9.863 1.00 0.00 N ATOM 1407 NH2 ARG A 96 -6.400 -17.831 -10.791 1.00 0.00 N ATOM 0 H ARG A 96 -3.034 -13.897 -5.476 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.493 -15.330 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.558 -15.905 -6.743 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.911 -16.823 -7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.522 -13.858 -7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.898 -15.116 -8.958 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.832 -14.912 -8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -5.165 -14.130 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.341 -16.759 -9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.435 -15.148 -9.343 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.363 -16.389 -10.192 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.542 -18.346 -10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -7.297 -18.191 -11.118 1.00 0.00 H new ATOM 1421 N GLU A 97 -5.422 -17.159 -4.513 1.00 0.00 N ATOM 1422 CA GLU A 97 -5.445 -18.178 -3.470 1.00 0.00 C ATOM 1423 C GLU A 97 -4.250 -19.117 -3.601 1.00 0.00 C ATOM 1424 O GLU A 97 -3.825 -19.448 -4.708 1.00 0.00 O ATOM 1425 CB GLU A 97 -6.747 -18.980 -3.538 1.00 0.00 C ATOM 1426 CG GLU A 97 -6.957 -19.688 -4.866 1.00 0.00 C ATOM 1427 CD GLU A 97 -8.026 -20.761 -4.792 1.00 0.00 C ATOM 1428 OE1 GLU A 97 -9.134 -20.461 -4.301 1.00 0.00 O ATOM 1429 OE2 GLU A 97 -7.753 -21.901 -5.223 1.00 0.00 O ATOM 0 H GLU A 97 -6.295 -17.067 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.386 -17.675 -2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.751 -19.719 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.587 -18.309 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.234 -18.956 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.017 -20.138 -5.186 1.00 0.00 H new ATOM 1436 N ARG A 98 -3.711 -19.543 -2.462 1.00 0.00 N ATOM 1437 CA ARG A 98 -2.564 -20.442 -2.448 1.00 0.00 C ATOM 1438 C ARG A 98 -2.916 -21.782 -3.088 1.00 0.00 C ATOM 1439 O ARG A 98 -3.288 -22.731 -2.399 1.00 0.00 O ATOM 1440 CB ARG A 98 -2.078 -20.661 -1.014 1.00 0.00 C ATOM 1441 CG ARG A 98 -0.658 -21.197 -0.928 1.00 0.00 C ATOM 1442 CD ARG A 98 -0.449 -22.018 0.335 1.00 0.00 C ATOM 1443 NE ARG A 98 0.550 -23.067 0.146 1.00 0.00 N ATOM 1444 CZ ARG A 98 0.960 -23.874 1.118 1.00 0.00 C ATOM 1445 NH1 ARG A 98 0.459 -23.754 2.340 1.00 0.00 N ATOM 1446 NH2 ARG A 98 1.872 -24.805 0.869 1.00 0.00 N ATOM 0 H ARG A 98 -4.051 -19.279 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.765 -19.980 -3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.135 -19.717 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.751 -21.357 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.446 -21.812 -1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.047 -20.366 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.136 -21.361 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.395 -22.468 0.636 1.00 0.00 H new ATOM 0 HE ARG A 98 0.955 -23.186 -0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.243 -23.040 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.776 -24.375 3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 98 2.259 -24.902 -0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.186 -25.424 1.616 1.00 0.00 H new